Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Added_ParseSaveFragmentResults
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_ParticleName_to_Atom
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
CombiningParticlePotentialParsing
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_PopActions
Fix_QtFragmentList_sorted_selection
Fix_Restrictedkeyset_FragmentMolecule
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
Fix_fitting_potentials
Fixes
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
FragmentMolecule_checks_bonddegrees
GeometryObjects
Gui_Fixes
Gui_displays_atomic_force_velocity
IndependentFragmentGrids
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PdbParser_setsAtomName
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
Rewrite_FitPartialCharges
RotateToPrincipalAxisSystem_UndoRedo
SaturateAtoms_findBestMatching
SaturateAtoms_singleDegree
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
Switchable_LogView
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
TremoloParser_setsAtomName
Ubuntu_1604_changes
stable
Last change
on this file since 8eafd6 was 47cee7, checked in by Frederik Heber <heber@…>, 11 years ago |
Writing out energy file with value and contribution per index set
- placed in printReceivedShortResultsPerIndex().
- added writeIndexedTable which writes per indexset not per level.
- HeaderPrinter is not initialized with some string anymore.
- ValuePrinter does not write the level anymore.
- these are now done in write(Indexed)Table.
- TESTFIX: Added BondFragment_IndexedEnergy.dat diff to regression tests.
|
-
Property mode
set to
100644
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File size:
1.1 KB
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1 | /*
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2 | * HeaderPrinter.hpp
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3 | *
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4 | * Created on: Aug 3, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef HEADERPRINTER_HPP_
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9 | #define HEADERPRINTER_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 | #include <boost/fusion/sequence.hpp>
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18 | #include <string>
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19 |
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20 | #include "Fragmentation/Summation/printKeyNames.hpp"
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21 |
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22 | /** HeaderPrinter prints the header for a table of values each associated to a
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23 | * specific boost::fusion-style key \a MapKey.
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24 | *
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25 | * We require the printName() function
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26 | * specialized for each \a MapKey to print the name for this value.
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27 | *
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28 | * This is made such that we may use boost::mpl::for_each to quickly create
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29 | * the header line if specialized printName()s and a boost::fusion::vector
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30 | * containing all these keys is present
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31 | */
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32 | struct HeaderPrinter {
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33 | HeaderPrinter(const std::string _suffix = std::string("")) :
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34 | header(""),
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35 | suffix(_suffix)
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36 | {}
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37 |
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38 | template <typename MapKey>
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39 | void operator()(MapKey &) {
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40 | header += std::string("\t") + printKeyNames::printName<MapKey>() + suffix;
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41 | }
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42 |
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43 | const std::string &get() const {
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44 | return header;
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45 | }
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46 |
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47 | private:
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48 | std::string header;
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49 | std::string suffix;
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50 | };
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51 |
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52 |
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53 | #endif /* HEADERPRINTER_HPP_ */
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